Chemical Properties of Glutaric acid, but-3-yn-2-yl 2,4-dimethylpent-3-yl ester

Glutaric acid, but-3-yn-2-yl 2,4-dimethylpent-3-yl ester

InChI
InChI=1S/C16H26O4/c1-7-13(6)19-14(17)9-8-10-15(18)20-16(11(2)3)12(4)5/h1,11-13,16H,8-10H2,2-6H3
InChI Key
YBMUHHBBHBAOLK-UHFFFAOYSA-N
Formula
C16H26O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OC(C(C)C)C(C)C
Molecular Weight1
282.38
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Physical Properties

Property Value Unit Source
ΔfH°gas -754.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.82 kJ/mol Joback Calculated Property
ΔvapH° 78.93 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.945 Crippen Calculated Property
McVol 242.580 ml/mol McGowan Calculated Property
Inp [1695.00; 1695.00]   Show Hide
Inp 1695.00 NIST
Inp 1695.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [365.13; 805.47] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.62130e+01
Coefficient B1.34400e+00
Coefficient C-6.66130e-04
Coefficient D8.13900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 365.13 J/mol×K 273.00 Calculated Property
Cp,gas 441.92 J/mol×K 353.78 Calculated Property
Cp,gas 511.14 J/mol×K 434.56 Calculated Property
Cp,gas 573.06 J/mol×K 515.33 Calculated Property
Cp,gas 627.92 J/mol×K 596.11 Calculated Property
Cp,gas 675.99 J/mol×K 676.89 Calculated Property
Cp,gas 717.52 J/mol×K 757.67 Calculated Property
Cp,gas 752.77 J/mol×K 838.44 Calculated Property
Cp,gas 782.00 J/mol×K 919.22 Calculated Property
Cp,gas 805.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl 2-methylpent-3-yl ester. Glutaric acid, but-3-yn-2-yl 2-methylhex-3-yl ester. Glutaric acid, but-3-yn-2-yl 3-methylbut-2-yl ester. Glutaric acid, 3-methylbut-2-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, 2-methylpent-3-yl isopropyl ester. Succinic acid, but-3-yn-2-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, 3-methylbut-2-yl 2-methylpent-3-yl ester. Glutaric acid, di(2,4-dimethylpent-3-yl) ester. Succinic acid, but-3-yn-2-yl 2-methylpent-3-yl ester. Glutaric acid, 2-methylpent-3-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-methylpent-3-yl ester. Glutaric acid, 2,4-dimethylpent-3-yl ethyl ester. Glutaric acid, ethyl 2-methylpent-3-yl ester. Glutaric acid, 1-cyclopentylethyl but-3-yn-2-yl ester. Glutaric acid, hept-2-yl 2,4-dimethylpent-3-yl ester.

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2,4-dimethylpent-3-yl ester.

Sources

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